Metabolomics Structure Database

 
MW REGNO: 68211
Common Name:3,4-Dihydroxystyrene
Systematic Name:4-vinylbenzene-1,2-diol
RefMet Name:3,4-Dihydroxystyrene
Synonyms:4-Vinylbenzene-1,2-diol; Vinylcatechol; 4-Vinylcatechol; 3,4-Styrenediol [PubChem Synonyms]
Exact Mass:
136.0524 (neutral)    Calculate m/z:
Formula:C8H8O2
InChIKey:FBTSUTGMWBDAAC-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:Benzenediols [C0001286]
ClassyFire direct parent:Catechols [C0000135]
SMILES:C=Cc1cc(O)c(O)cc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:151398
CHEBI ID:1390
HMDB ID:HMDB0124942
KEGG ID:C06224
EPA CompTox DB:DTXCID40131766
Plant Metabolite Hub(Pmhub):MS000019060
PhytoHub ID:PHUB002603

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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